N-[(2-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine

C18H12FN3 — CID 2316098

IUPACN-[(2-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine
SMILESFc1ccccc1C=NNC1=Nc2cccc3cccc1c23
InChIInChI=1S/C18H12FN3/c19-15-9-2-1-5-13(15)11-20-22-18-14-8-3-6-12-7-4-10-16(21-18)17(12)14/h1-11H,(H,21,22)
InChIKeyIXLPFXLIYCVMJP-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.99
Rot. Bonds2

About N-[(2-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine

N-[(2-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine (PubChem CID 2316098) has the molecular formula C18H12FN3 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine
PubChem CID2316098
Molecular FormulaC18H12FN3
Molecular Weight289.31 g/mol
Exact Mass289.10
IUPAC NameN-[(2-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine
SMILESFc1ccccc1C=NNC1=Nc2cccc3cccc1c23
InChIInChI=1S/C18H12FN3/c19-15-9-2-1-5-13(15)11-20-22-18-14-8-3-6-12-7-4-10-16(21-18)17(12)14/h1-11H,(H,21,22)
InChIKeyIXLPFXLIYCVMJP-UHFFFAOYSA-N
XLogP3.99
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-methoxyphenyl)methylideneamino]benzo[cd]indol-2-amine
CID 6899627
N-[(Z)-(4-nitrophenyl)methylideneamino]benzo[cd]indol-2-amine
CID 6007493
N-benzo[cd]indol-2-ylhydroxylamine
CID 840643
2,3,5,6-tetrafluoro-N-[(2-fluorophenyl)methylideneamino]aniline
CID 4113252
2,3,5,6-tetrafluoro-N-[(Z)-(2-fluorophenyl)methylideneamino]aniline
CID 6013048
2-chloro-N-[(2-fluorophenyl)methylideneamino]aniline
CID 3753307
N-[(Z)-(2-fluorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine
CID 6040000
2-(2-chlorophenyl)-N-[(2-fluorophenyl)methylideneamino]quinazolin-4-amine
CID 3764445
6-N-benzyl-2-N-[(Z)-(2-fluorophenyl)methylideneamino]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 171978862
N-[(E)-(2-fluorophenyl)methylideneamino]-3,4-dimethylaniline
CID 110504963
N-[(E)-(2-fluorophenyl)methylideneamino]quinolin-4-amine
CID 45481082
4-(4-fluorophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6107922

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine?
The IUPAC name of N-[(2-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine (CID 2316098) is N-[(2-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine?
The canonical SMILES for N-[(2-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine is Fc1ccccc1C=NNC1=Nc2cccc3cccc1c23.
What is the InChIKey of N-[(2-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine?
The InChIKey is IXLPFXLIYCVMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3/c19-15-9-2-1-5-13(15)11-20-22-18-14-8-3-6-12-7-4-10-16(21-18)17(12)14/h1-11H,(H,21,22).
What are the key properties of N-[(2-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine?
N-[(2-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine has a molecular weight of 289.31 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine is sourced from PubChem (CID 2316098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).